NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
562929 |
2m7l   |
19195 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2m7l
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 183
_Stereo_assign_list.Swap_count 9
_Stereo_assign_list.Swap_percentage 4.9
_Stereo_assign_list.Deassign_count 20
_Stereo_assign_list.Deassign_percentage 10.9
_Stereo_assign_list.Model_count 12
_Stereo_assign_list.Total_e_low_states 23.249
_Stereo_assign_list.Total_e_high_states 108.845
_Stereo_assign_list.Crit_abs_e_diff 0.100
_Stereo_assign_list.Crit_rel_e_diff 0.000
_Stereo_assign_list.Crit_mdls_favor_pct 75.0
_Stereo_assign_list.Crit_sing_mdl_viol 1.000
_Stereo_assign_list.Crit_multi_mdl_viol 0.500
_Stereo_assign_list.Crit_multi_mdl_pct 50.0
_Stereo_assign_list.Details
;
Description of the tags in this list:
* 1 * NMR-STAR 3 administrative tag
* 2 * NMR-STAR 3 administrative tag
* 3 * NMR-STAR 3 administrative tag
* 4 * Number of triplets (atom-group pair and pseudo)
* 5 * Number of triplets that were swapped
* 6 * Percentage of triplets that were swapped
* 7 * Number of deassigned triplets
* 8 * Percentage of deassigned triplets
* 9 * Number of models in ensemble
* 10 * Energy of the states with the lower energies summed for all triplets (Ang.**2)
* 11 * Energy of the states with the higher energies summed for all triplets (Ang.**2)
* 12 * Item 9-8
* 13 * Criterium for swapping assignment on the absolute energy difference (Ang.**2)
* 14 * Criterium for swapping assignment on the relative energy difference (Ang.**2)
* 15 * Criterium for swapping assignment on the percentage of models favoring a swap
* 16 * Criterium for deassignment on a single model violation (Ang.)
* 17 * Criterium for deassignment on a multiple model violation (Ang.)
* 18 * Criterium for deassignment on a percentage of models
* 19 * this tag
Description of the tags in the table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Name of pseudoatom representing the triplet
* 5 * Ordinal number of assignment (1 is assigned first)
* 6 * 'yes' if assignment state is swapped with respect to restraint file
* 7 * Percentage of models in which the assignment with the lowest
overall energy is favoured
* 8 * Percentage of difference between lowest and highest overall energy
with respect to the highest overall energy
* 9 * Difference between lowest and highest overall energy
* 10 * Energy of the highest overall energy state (Ang.**2)
* 11 * Energy of the lowest overall energy state (Ang.**2)
* 12 * Number of restraints involved with the triplet. The highest ranking
triplet on this number, is assigned first
* 13 * Number of restraints involved with the triplet that are ambiguous
besides the ambiguity from this triplet
* 14 * 'yes' if restraints included in this triplet are deassigned
* 15 * Maximum unaveraged violation before deassignment (Ang.)
* 16 * Number of violated restraints above threshold for a single model
before deassignment (given by Single_mdl_crit_count)
* 17 * Number of violated restraints above threshold for a multiple models
before deassignment (given by Multi_mdl_crit_count)
* 18 * NMR-STAR 3.0 administrative tag
* 19 * NMR-STAR 3.0 administrative tag
;
loop_
_Stereo_assign.Entity_assembly_ID
_Stereo_assign.Comp_index_ID
_Stereo_assign.Comp_ID
_Stereo_assign.Pseudo_Atom_ID
_Stereo_assign.Num
_Stereo_assign.Swapped
_Stereo_assign.Models_favoring_pct
_Stereo_assign.Energy_difference_pct
_Stereo_assign.Energy_difference
_Stereo_assign.Energy_high_state
_Stereo_assign.Energy_low_state
_Stereo_assign.Constraint_count
_Stereo_assign.Constraint_ambi_count
_Stereo_assign.Deassigned
_Stereo_assign.Violation_max
_Stereo_assign.Single_mdl_crit_count
_Stereo_assign.Multi_mdl_crit_count
1 4 SER QB 167 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 5 GLY QA 109 no 83.3 83.2 0.621 0.746 0.125 8 2 no 0.186 0 0
1 6 VAL QG 1 yes 83.3 74.5 12.398 16.647 4.249 55 30 yes 1.763 20 38
1 9 GLU QB 130 no 75.0 99.9 1.062 1.064 0.001 6 0 no 0.118 0 0
1 9 GLU QG 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 10 GLN QB 16 no 100.0 93.9 4.478 4.771 0.292 24 8 no 0.285 0 0
1 10 GLN QG 76 no 66.7 23.0 0.120 0.525 0.404 12 4 no 0.333 0 0
1 11 MET QB 176 no 8.3 100.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 11 MET QG 45 no 58.3 30.8 0.124 0.401 0.277 16 5 no 0.767 0 5
1 12 GLN QB 166 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 13 GLU QB 183 no 66.7 92.1 0.554 0.602 0.048 1 0 no 0.503 0 1
1 13 GLU QG 104 no 33.3 80.8 0.038 0.048 0.009 8 0 no 0.220 0 0
1 14 PHE QB 39 yes 100.0 99.1 0.259 0.261 0.002 17 4 no 0.164 0 0
1 15 LYS QB 19 no 16.7 84.0 0.028 0.033 0.005 22 12 no 0.166 0 0
1 15 LYS QD 50 no 75.0 9.3 0.006 0.065 0.059 16 11 no 0.439 0 0
1 15 LYS QE 79 no 41.7 51.9 0.059 0.115 0.055 12 11 no 0.605 0 1
1 15 LYS QG 84 no 100.0 0.0 0.000 0.000 0.000 11 10 no 0.000 0 0
1 16 GLN QB 129 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 16 GLN QG 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 17 SER QB 81 no 83.3 74.0 1.340 1.810 0.470 11 0 yes 1.128 1 8
1 18 PHE QB 72 no 83.3 99.7 0.085 0.086 0.000 12 0 no 0.059 0 0
1 19 ASP QB 138 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 21 PHE QB 28 no 91.7 99.7 0.007 0.007 0.000 20 9 no 0.269 0 0
1 22 ASP QB 75 no 66.7 100.0 0.222 0.222 0.000 12 4 no 0.027 0 0
1 23 GLY QA 155 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 24 ASN QB 128 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 25 HIS QB 137 no 41.7 99.5 0.666 0.670 0.003 5 0 no 0.114 0 0
1 26 ASP QB 127 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 27 GLY QA 103 no 83.3 25.5 0.001 0.004 0.003 8 0 no 0.092 0 0
1 28 ILE QG 62 yes 100.0 53.8 0.353 0.656 0.303 14 1 yes 1.244 1 4
1 29 LEU QB 27 no 75.0 92.0 0.048 0.053 0.004 20 8 no 0.133 0 0
1 29 LEU QD 3 no 100.0 83.5 2.707 3.242 0.535 51 18 yes 1.062 3 7
1 30 ASP QB 102 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 31 LYS QB 37 no 100.0 0.0 0.000 0.000 0.000 18 9 no 0.000 0 0
1 31 LYS QD 68 no 100.0 0.0 0.000 0.000 0.000 13 13 no 0.000 0 0
1 31 LYS QE 60 no 25.0 94.9 0.014 0.015 0.001 15 13 no 0.082 0 0
1 31 LYS QG 26 no 100.0 0.0 0.000 0.000 0.000 21 15 no 0.000 0 0
1 32 LEU QB 56 no 100.0 0.0 0.000 0.000 0.000 15 6 no 0.000 0 0
1 32 LEU QD 40 no 50.0 98.7 1.133 1.147 0.015 17 7 no 0.403 0 0
1 33 GLU QB 165 no 100.0 100.0 0.000 0.000 0.000 3 0 no 0.021 0 0
1 33 GLU QG 126 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 34 PHE QB 44 no 100.0 100.0 0.003 0.003 0.000 16 5 no 0.133 0 0
1 35 ARG QB 12 no 100.0 0.0 0.000 0.000 0.000 26 13 no 0.000 0 0
1 35 ARG QD 17 no 50.0 82.8 0.284 0.344 0.059 24 16 no 0.403 0 0
1 35 ARG QG 25 no 8.3 100.0 0.095 0.095 0.000 21 14 no 0.000 0 0
1 36 SER QB 96 no 100.0 100.0 0.000 0.000 0.000 9 0 no 0.003 0 0
1 37 CYS QB 31 no 100.0 73.0 0.004 0.006 0.002 19 6 no 0.269 0 0
1 38 LEU QB 91 no 75.0 99.7 0.076 0.076 0.000 10 5 no 0.035 0 0
1 38 LEU QD 7 no 58.3 37.3 1.523 4.084 2.561 36 14 yes 2.449 18 34
1 39 SER QB 55 no 50.0 93.4 0.038 0.041 0.003 15 3 no 0.144 0 0
1 40 SER QB 125 no 41.7 63.4 0.072 0.113 0.041 6 0 no 0.425 0 0
1 41 MET QB 63 no 83.3 77.0 1.664 2.161 0.497 14 6 no 0.923 0 3
1 41 MET QG 47 no 8.3 15.9 0.063 0.395 0.333 16 6 no 0.000 0 0
1 42 GLY QA 154 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 43 LEU QB 59 no 75.0 86.9 0.626 0.720 0.094 15 9 no 0.146 0 0
1 43 LEU QD 8 no 50.0 52.5 2.422 4.611 2.188 33 17 yes 1.993 13 27
1 44 ILE QG 36 no 25.0 96.7 0.113 0.116 0.004 18 4 no 0.144 0 0
1 45 ASP QB 136 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 46 ILE QG 33 no 100.0 0.0 0.000 0.000 0.000 18 0 no 0.000 0 0
1 47 ASP QB 153 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 48 PHE QB 71 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 50 GLY QA 164 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 51 GLY QA 157 no 41.7 25.5 0.119 0.465 0.347 4 1 no 0.038 0 0
1 52 GLU QB 115 no 25.0 60.4 0.079 0.132 0.052 7 0 no 0.504 0 1
1 52 GLU QG 116 no 58.3 30.1 0.104 0.346 0.242 7 1 yes 1.039 1 5
1 53 ASP QB 124 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 55 GLN QB 123 no 33.3 98.1 0.045 0.045 0.001 6 0 no 0.062 0 0
1 55 GLN QG 175 no 33.3 49.2 0.078 0.159 0.081 2 0 no 0.742 0 1
1 56 TYR QB 35 yes 83.3 99.9 1.780 1.781 0.001 18 1 no 0.072 0 0
1 57 ASP QB 43 no 100.0 99.7 0.026 0.026 0.000 16 0 no 0.348 0 0
1 59 ILE QG 70 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 60 TYR QB 87 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 61 ASN QB 65 no 58.3 98.2 0.104 0.106 0.002 13 0 no 0.643 0 3
1 62 ASN QB 54 no 83.3 94.5 0.034 0.037 0.002 15 2 no 0.115 0 0
1 63 VAL QG 4 no 100.0 99.6 6.500 6.525 0.025 49 17 no 0.219 0 0
1 65 LYS QB 99 no 75.0 49.5 0.014 0.028 0.014 9 5 no 0.289 0 0
1 65 LYS QD 92 no 33.3 99.6 0.001 0.001 0.000 10 6 no 0.008 0 0
1 65 LYS QE 100 no 66.7 66.4 0.847 1.275 0.428 9 7 yes 1.598 6 12
1 65 LYS QG 142 no 58.3 87.4 0.094 0.107 0.014 5 2 no 0.403 0 0
1 66 GLY QA 163 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 67 GLU QB 182 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 67 GLU QG 122 no 8.3 100.0 0.004 0.004 0.000 6 0 no 0.000 0 0
1 68 ASN QB 86 no 8.3 60.1 0.003 0.005 0.002 10 0 no 0.154 0 0
1 69 GLY QA 106 no 91.7 91.7 0.906 0.988 0.082 8 1 no 0.599 0 1
1 70 VAL QG 6 no 100.0 93.9 6.719 7.156 0.438 39 14 yes 1.058 2 6
1 71 SER QB 74 no 58.3 36.1 0.412 1.141 0.729 12 2 no 0.571 0 1
1 72 PHE QB 95 no 100.0 0.0 0.000 0.000 0.000 9 0 no 0.000 0 0
1 73 ASP QB 152 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 74 ASN QB 46 no 50.0 31.3 0.003 0.009 0.006 16 6 no 0.054 0 0
1 75 TYR QB 66 no 100.0 100.0 0.002 0.002 0.000 13 3 no 0.000 0 0
1 76 VAL QG 5 no 100.0 99.9 10.002 10.009 0.007 46 15 no 0.164 0 0
1 77 GLN QB 135 no 16.7 56.0 0.056 0.099 0.044 5 0 no 0.550 0 1
1 77 GLN QG 162 yes 75.0 79.0 0.283 0.358 0.075 3 0 no 0.651 0 2
1 78 TYR QB 23 yes 100.0 99.9 2.132 2.134 0.001 21 7 no 0.118 0 0
1 79 MET QB 32 no 100.0 82.2 0.003 0.004 0.001 19 9 no 0.177 0 0
1 79 MET QG 41 no 33.3 99.2 0.016 0.017 0.000 17 9 no 0.035 0 0
1 80 LYS QB 58 no 100.0 95.3 2.121 2.227 0.106 15 9 no 0.095 0 0
1 80 LYS QD 132 no 58.3 0.6 0.004 0.772 0.768 6 5 no 0.583 0 5
1 80 LYS QE 93 no 100.0 92.6 1.848 1.996 0.148 10 8 no 0.101 0 0
1 80 LYS QG 111 no 58.3 25.9 0.431 1.667 1.236 8 6 yes 1.330 5 8
1 81 GLU QB 181 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 81 GLU QG 114 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 82 LYS QB 53 no 83.3 90.2 0.044 0.049 0.005 15 2 no 0.737 0 1
1 82 LYS QD 83 no 91.7 59.5 0.000 0.001 0.000 11 4 no 0.080 0 0
1 82 LYS QE 29 no 41.7 14.4 0.037 0.257 0.220 20 10 no 0.166 0 0
1 82 LYS QG 180 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 83 ASN QB 80 no 100.0 0.0 0.000 0.000 0.000 11 0 no 0.000 0 0
1 84 ASP QB 151 yes 100.0 96.6 0.888 0.920 0.031 4 0 no 0.490 0 0
1 85 GLU QB 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 85 GLU QG 161 no 83.3 46.5 0.066 0.142 0.076 3 0 yes 1.099 1 2
1 86 ASN QB 77 no 91.7 42.5 0.001 0.003 0.002 12 7 no 0.185 0 0
1 87 PRO QB 49 no 41.7 94.8 0.057 0.060 0.003 16 9 no 0.128 0 0
1 87 PRO QD 10 no 91.7 65.7 0.002 0.003 0.001 28 18 no 0.185 0 0
1 87 PRO QG 110 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.000 0 0
1 88 SER QB 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 89 PRO QB 105 no 100.0 0.0 0.000 0.000 0.000 8 1 no 0.000 0 0
1 89 PRO QD 158 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 89 PRO QG 143 no 100.0 0.0 0.000 0.000 0.000 5 3 no 0.000 0 0
1 90 GLU QB 179 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 90 GLU QG 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 91 GLN QB 121 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 91 GLN QG 149 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 92 LEU QB 73 no 58.3 36.8 0.348 0.947 0.598 12 1 yes 1.648 5 6
1 92 LEU QD 51 no 75.0 16.3 0.263 1.612 1.349 15 1 yes 2.077 5 8
1 93 ASN QB 120 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 94 GLU QG 160 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 95 ILE QG 69 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 96 PHE QB 64 no 25.0 100.0 0.008 0.008 0.000 13 0 no 0.000 0 0
1 97 SER QB 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 99 ILE QG 21 no 100.0 100.0 0.001 0.001 0.000 21 0 no 0.099 0 0
1 102 GLY QA 101 no 100.0 100.0 0.000 0.000 0.000 8 0 no 0.026 0 0
1 103 LYS QB 24 no 33.3 79.2 0.048 0.061 0.013 21 10 no 0.082 0 0
1 103 LYS QD 57 no 16.7 100.0 0.006 0.006 0.000 15 8 no 0.000 0 0
1 103 LYS QE 20 no 66.7 70.7 0.608 0.859 0.251 22 14 yes 1.316 6 10
1 103 LYS QG 14 no 100.0 45.7 0.001 0.002 0.001 25 16 no 0.110 0 0
1 104 ASP QB 119 no 75.0 92.0 0.042 0.046 0.004 6 0 no 0.175 0 0
1 105 SER QB 140 no 8.3 99.6 0.024 0.024 0.000 5 1 no 0.034 0 0
1 106 ILE QG 22 no 100.0 99.7 2.530 2.539 0.009 21 6 no 0.143 0 0
1 108 GLU QB 113 no 100.0 99.4 0.019 0.019 0.000 7 0 no 0.234 0 0
1 108 GLU QG 112 no 66.7 68.2 1.780 2.610 0.830 7 0 yes 1.648 13 21
1 110 ASP QB 108 no 75.0 99.6 1.062 1.066 0.004 8 2 no 0.143 0 0
1 111 MET QB 82 no 83.3 99.6 0.116 0.116 0.000 11 3 no 0.076 0 0
1 111 MET QG 38 no 66.7 99.7 0.603 0.605 0.002 17 4 no 0.115 0 0
1 112 GLN QB 148 no 8.3 100.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 112 GLN QG 94 no 58.3 14.8 0.076 0.517 0.440 9 0 yes 1.367 2 6
1 113 LYS QB 117 no 33.3 16.2 0.036 0.220 0.185 7 4 no 0.796 0 4
1 113 LYS QD 178 no 58.3 23.3 0.048 0.206 0.158 1 0 yes 1.267 1 1
1 113 LYS QE 169 no 50.0 5.6 0.034 0.611 0.577 3 2 yes 1.484 2 7
1 113 LYS QG 141 no 66.7 47.8 0.336 0.704 0.368 5 2 yes 1.562 5 6
1 115 GLY QA 147 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 116 MET QB 61 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.000 0 0
1 116 MET QG 159 no 100.0 100.0 0.010 0.010 0.000 3 0 no 0.282 0 0
1 117 SER QB 146 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 119 GLU QB 139 no 100.0 0.0 0.000 0.000 0.000 5 1 no 0.000 0 0
1 119 GLU QG 168 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 120 GLN QB 145 no 100.0 100.0 0.076 0.076 0.000 4 0 no 0.947 0 1
1 120 GLN QG 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 121 ILE QG 85 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 122 GLU QB 107 yes 100.0 99.2 0.284 0.287 0.002 8 2 no 0.128 0 0
1 122 GLU QG 131 no 75.0 82.1 0.485 0.590 0.106 6 2 no 0.492 0 0
1 123 TYR QB 52 no 100.0 0.0 0.000 0.000 0.000 15 2 no 0.000 0 0
1 124 VAL QG 9 no 100.0 100.0 4.548 4.548 0.000 29 8 no 0.025 0 0
1 125 LYS QB 88 no 91.7 92.8 0.000 0.000 0.000 10 2 no 0.074 0 0
1 125 LYS QD 98 no 100.0 0.0 0.000 0.000 0.000 9 4 no 0.058 0 0
1 125 LYS QE 78 no 8.3 51.7 0.000 0.001 0.000 12 8 no 0.074 0 0
1 125 LYS QG 90 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 127 ASN QB 97 no 8.3 100.0 0.001 0.001 0.000 9 2 no 0.000 0 0
1 128 LEU QB 13 no 83.3 19.2 0.001 0.004 0.003 25 15 no 0.136 0 0
1 128 LEU QD 2 no 100.0 99.9 1.837 1.839 0.001 52 29 no 0.065 0 0
1 129 PRO QB 48 no 25.0 97.5 0.005 0.005 0.000 16 7 no 0.039 0 0
1 129 PRO QD 11 no 100.0 100.0 0.001 0.001 0.000 27 20 no 0.045 0 0
1 129 PRO QG 67 no 100.0 11.5 0.001 0.010 0.008 13 8 no 0.339 0 0
1 130 GLN QB 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 130 GLN QG 134 no 100.0 82.6 0.001 0.001 0.000 5 0 no 0.086 0 0
1 131 LYS QB 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 134 GLY QA 34 no 83.3 99.9 0.512 0.513 0.000 18 1 no 0.044 0 0
1 135 TYR QB 42 no 100.0 100.0 0.008 0.008 0.000 17 11 no 0.143 0 0
1 136 ASP QB 89 no 91.7 97.6 0.389 0.398 0.010 10 4 no 0.339 0 0
1 137 TYR QB 30 no 25.0 100.0 0.025 0.025 0.000 19 3 no 0.000 0 0
1 140 TRP QB 15 no 100.0 100.0 0.000 0.000 0.000 24 6 no 0.038 0 0
1 141 VAL QG 18 no 33.3 4.4 0.021 0.477 0.456 23 0 yes 0.817 0 8
1 142 LYS QB 133 yes 91.7 85.4 0.227 0.266 0.039 5 0 no 0.646 0 1
1 144 ASN QB 118 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
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save_
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